4-(2-amino-6-methylphenyl)butanoic acid

C11H15NO2 — CID 83853038

IUPAC4-(2-amino-6-methylphenyl)butanoic acid
SMILESCc1cccc(N)c1CCCC(=O)O
InChIInChI=1S/C11H15NO2/c1-8-4-2-6-10(12)9(8)5-3-7-11(13)14/h2,4,6H,3,5,7,12H2,1H3,(H,13,14)
InChIKeySPCZAYMJYHLNBJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.98
Rot. Bonds4

About 4-(2-amino-6-methylphenyl)butanoic acid

4-(2-amino-6-methylphenyl)butanoic acid (PubChem CID 83853038) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(2-amino-6-methylphenyl)butanoic acid.

Molecular Properties

Compound Name4-(2-amino-6-methylphenyl)butanoic acid
PubChem CID83853038
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-(2-amino-6-methylphenyl)butanoic acid
SMILESCc1cccc(N)c1CCCC(=O)O
InChIInChI=1S/C11H15NO2/c1-8-4-2-6-10(12)9(8)5-3-7-11(13)14/h2,4,6H,3,5,7,12H2,1H3,(H,13,14)
InChIKeySPCZAYMJYHLNBJ-UHFFFAOYSA-N
XLogP1.98
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2-fluoro-3-methylphenyl)butanoic acid
CID 83698983
4-[2-amino-6-(3-aminophenyl)sulfanylphenyl]butanoic acid
CID 19431751
3-(2-ethyl-6-methylphenyl)propanoic acid
CID 82158159
3-(2-amino-6-bromophenyl)propanoic acid
CID 83853286
3-(2-chloro-6-methylphenyl)propanoic acid
CID 84733648
18-[2-(18-amino-18-oxooctadecyl)-3,6-dimethylphenyl]octadecanoic acid
CID 69051285
3-(2-amino-6-ethoxyphenyl)propanoic acid
CID 84676808
4-[4-[(2-methylphenyl)methyl]phenyl]butanoic acid
CID 138459303
2-[2-[(2-amino-6-methylphenyl)methyl]-1,3-dioxolan-2-yl]acetic acid
CID 163321108
4-(3,4-dimethyl-1H-indol-2-yl)butanoic acid
CID 175063966
decanedioic acid;1,2-xylene;1,3-xylene
CID 175017838
4-(2-cyano-6-methylphenyl)butanamide
CID 173253243

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-methylphenyl)butanoic acid?
The IUPAC name of 4-(2-amino-6-methylphenyl)butanoic acid (CID 83853038) is 4-(2-amino-6-methylphenyl)butanoic acid.
What is the SMILES notation for 4-(2-amino-6-methylphenyl)butanoic acid?
The canonical SMILES for 4-(2-amino-6-methylphenyl)butanoic acid is Cc1cccc(N)c1CCCC(=O)O.
What is the InChIKey of 4-(2-amino-6-methylphenyl)butanoic acid?
The InChIKey is SPCZAYMJYHLNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-4-2-6-10(12)9(8)5-3-7-11(13)14/h2,4,6H,3,5,7,12H2,1H3,(H,13,14).
What are the key properties of 4-(2-amino-6-methylphenyl)butanoic acid?
4-(2-amino-6-methylphenyl)butanoic acid has a molecular weight of 193.25 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-methylphenyl)butanoic acid is sourced from PubChem (CID 83853038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).